{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.22834 0.75 0.083902 ] [ 0.753722 0.996739 0.263357 ] [ 0.753722 0.503261 0.263357 ] [ 0.246278 0.496739 0.736643 ] [ 0.246278 0.003261 0.736643 ] [ 0.77166 0.25 0.916098 ] [ 0.230398 0.25 0.354412 ] [ 0.769602 0.75 0.645588 ] [ 0.307096 0.75 0.417595 ] [ 0.692904 0.25 0.582405 ] [ 0.279145 0.25 0.056172 ] [ 0.720855 0.75 0.943828 ] [ 0.747893 0.75 0.084788 ] [ 0.077294 0.25 0.135084 ] [ 0.501027 0.25 0.120426 ] [ 0.22641 0.93617 0.323265 ] [ 0.22641 0.56383 0.323265 ] [ 0.601937 0.75 0.436917 ] [ 0.811541 0.25 0.431653 ] [ 0.188459 0.75 0.568347 ] [ 0.398063 0.25 0.563083 ] [ 0.77359 0.43617 0.676735 ] [ 0.77359 0.06383 0.676735 ] [ 0.498973 0.75 0.879574 ] [ 0.922706 0.75 0.864916 ] [ 0.252107 0.25 0.915212 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "P" "P" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.30382022 "source-unit" "angstrom" } "b" { "source-value" 6.66118174 "source-unit" "angstrom" } "c" { "source-value" 9.16395334 "source-unit" "angstrom" } "beta" { "source-value" 92.02797777 "source-unit" "degree" } }